hydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium

C12H16O3P+ — CID 126564379

IUPAChydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium
SMILESCC(=O)Cc1c(C(C)C)cccc1[P+](=O)O
InChIInChI=1S/C12H15O3P/c1-8(2)10-5-4-6-12(16(14)15)11(10)7-9(3)13/h4-6,8H,7H2,1-3H3/p+1
InChIKeyFHGMQVFWCYHCDM-UHFFFAOYSA-O
MW239.23 g/mol
LogP2.30
Rot. Bonds4

About hydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium

hydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium (PubChem CID 126564379) has the molecular formula C12H16O3P+ and a molecular weight of 239.23 g/mol. Its IUPAC name is hydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium
PubChem CID126564379
Molecular FormulaC12H16O3P+
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Namehydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium
SMILESCC(=O)Cc1c(C(C)C)cccc1[P+](=O)O
InChIInChI=1S/C12H15O3P/c1-8(2)10-5-4-6-12(16(14)15)11(10)7-9(3)13/h4-6,8H,7H2,1-3H3/p+1
InChIKeyFHGMQVFWCYHCDM-UHFFFAOYSA-O
XLogP2.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[2,6-di(propan-2-yl)phenyl]acetyl chloride
CID 19362782
1-[2-methoxy-3,6-di(propan-2-yl)phenyl]propan-2-one
CID 117374493
1-[3-fluoro-2,6-di(propan-2-yl)phenyl]propan-2-one
CID 146613098
dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene
CID 68581235
1-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)propan-2-one
CID 84674442
methyl 2-[2-(aminomethyl)-3-propan-2-ylphenyl]acetate
CID 174486187
2-[3-(bromomethyl)-2-(2-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 135741065
2-ethyl-3-propan-2-ylbenzoic acid
CID 89352889
2-hydroxy-2-[3-(hydroxymethyl)-2-(2-oxopropyl)phenyl]acetic acid
CID 134657368
1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one
CID 175507424
CID 173166794
CID 173166794
1-(4-propan-2-ylindol-1-yl)ethanone
CID 130210312

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium?
The IUPAC name of hydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium (CID 126564379) is hydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium.
What is the SMILES notation for hydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium?
The canonical SMILES for hydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium is CC(=O)Cc1c(C(C)C)cccc1[P+](=O)O.
What is the InChIKey of hydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium?
The InChIKey is FHGMQVFWCYHCDM-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15O3P/c1-8(2)10-5-4-6-12(16(14)15)11(10)7-9(3)13/h4-6,8H,7H2,1-3H3/p+1.
What are the key properties of hydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium?
hydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium has a molecular weight of 239.23 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[2-(2-oxopropyl)-3-propan-2-ylphenyl]phosphanium is sourced from PubChem (CID 126564379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).